SCHEMBL21786478

SCHEMBL21786478

Cn1nc(-c2ccc(OCc3cccnc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2O)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
LRRK2 Q5S007 2/20 0.37
ALOX5 P09917 1/20 0.37
PSEN1 P49768 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
BRD4 O60885 1/20 0.36
CYP19A1 P11511 1/20 0.35
CGAS Q8N884 2/20 0.35
SYK P43405 1/20 0.35
KLK8 O60259 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
KLKB1 P03952 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21786535 0.86 THRB (0.36) PPARGLRRK2ALOX5PSEN1GPBAR1
SCHEMBL21786590 0.85 NPSR1 (0.36) PTPN1
SCHEMBL21786616 0.84 THRB (0.39) PPARDGRIN1GRIN2BBRD4PTPN1
SCHEMBL21786448 0.84 CYP11B1 (0.39) CYP11B1CYP11B2LRRK2CYP19A1SRPK3
SCHEMBL22791222 0.81 MEN1 (0.38) CYP11B1CYP11B2CYP19A1PTPN1
SCHEMBL21786507 0.81 AGER (0.36) PPARGPPARDPPARACYP19A1
SCHEMBL21786493 0.80 PTGER1 (0.39) PTPN1
SCHEMBL21786501 0.80 AKR1C3 (0.40)
SCHEMBL21786627 0.80 MAPT (0.41) LRRK2PTPN1
SCHEMBL22791193 0.80 TP53 (0.36) CYP11B1CYP11B2ALOX5GRIN1GRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CTSS 3105/4885PPARG 2010/4885PPARD 1970/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CTSS 3105/4885PPARG 2010/4885PPARD 1970/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 CTSS 3105/4885PPARG 2010/4885PPARD 1970/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.